3-acetyl-3-(2-methylcyclopropyl)cyclopentan-1-one

C11H16O2 — CID 59050046

IUPAC3-acetyl-3-(2-methylcyclopropyl)cyclopentan-1-one
SMILESCC(=O)C1(C2CC2C)CCC(=O)C1
InChIInChI=1S/C11H16O2/c1-7-5-10(7)11(8(2)12)4-3-9(13)6-11/h7,10H,3-6H2,1-2H3
InChIKeySKGQCNQMLYUYOC-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.97
Rot. Bonds2

About 3-acetyl-3-(2-methylcyclopropyl)cyclopentan-1-one

3-acetyl-3-(2-methylcyclopropyl)cyclopentan-1-one (PubChem CID 59050046) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-acetyl-3-(2-methylcyclopropyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-acetyl-3-(2-methylcyclopropyl)cyclopentan-1-one
PubChem CID59050046
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name3-acetyl-3-(2-methylcyclopropyl)cyclopentan-1-one
SMILESCC(=O)C1(C2CC2C)CCC(=O)C1
InChIInChI=1S/C11H16O2/c1-7-5-10(7)11(8(2)12)4-3-9(13)6-11/h7,10H,3-6H2,1-2H3
InChIKeySKGQCNQMLYUYOC-UHFFFAOYSA-N
XLogP1.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-3-(2-methylcyclopropyl)cyclopentan-1-one?
The IUPAC name of 3-acetyl-3-(2-methylcyclopropyl)cyclopentan-1-one (CID 59050046) is 3-acetyl-3-(2-methylcyclopropyl)cyclopentan-1-one.
What is the SMILES notation for 3-acetyl-3-(2-methylcyclopropyl)cyclopentan-1-one?
The canonical SMILES for 3-acetyl-3-(2-methylcyclopropyl)cyclopentan-1-one is CC(=O)C1(C2CC2C)CCC(=O)C1.
What is the InChIKey of 3-acetyl-3-(2-methylcyclopropyl)cyclopentan-1-one?
The InChIKey is SKGQCNQMLYUYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-7-5-10(7)11(8(2)12)4-3-9(13)6-11/h7,10H,3-6H2,1-2H3.
What are the key properties of 3-acetyl-3-(2-methylcyclopropyl)cyclopentan-1-one?
3-acetyl-3-(2-methylcyclopropyl)cyclopentan-1-one has a molecular weight of 180.25 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-3-(2-methylcyclopropyl)cyclopentan-1-one is sourced from PubChem (CID 59050046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).